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3,5-DIHYDROXY-4-METHOXYBENZOIC ACID

CAT: 0931-T203821-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T203821-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4319-02-2
Target
Others
Related Pathways
Others
Bioactivity
3,5-Dihydroxy-4-methoxybenzoic acid is a benzoic acid that can be used in organic synthesis and biological experiments.
Smiles
O=C(O)C1=CC(O)=C(OC)C(O)=C1
Molecular Formula
C8H8O5
Molecular Weight
184.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-O-methylgallic acid

4-O-Methylgallic acid is a trihydroxybenzoic acid.

CAS Number4319-02-2
PubChem CID78016
IUPAC Name3,5-dihydroxy-4-methoxybenzoic acid
Molecular FormulaC8H8O5
Molecular Weight184.15
XLogP1
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity181
SMILES
COC1=C(C=C(C=C1O)C(=O)O)O
InChI
InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)
InChIKey
UBXDWYFLYYJQFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-O-methylgallic acid
CAS: 4319-02-2
CID: 78016
Formula: C8H8O5
MW: 184.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.15
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass184.03717335
Monoisotopic Mass184.03717335
Topological Polar Surface Area87 Ų
Heavy Atom Count13
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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